ethyl 2-(2-oxo-3-piperidin-4-ylimidazo[4,5-c]pyridin-1-yl)acetate

C15H20N4O3 — CID 67335408

IUPACethyl 2-(2-oxo-3-piperidin-4-ylimidazo[4,5-c]pyridin-1-yl)acetate
SMILESCCOC(=O)Cn1c(=O)n(C2CCNCC2)c2cnccc21
InChIInChI=1S/C15H20N4O3/c1-2-22-14(20)10-18-12-5-8-17-9-13(12)19(15(18)21)11-3-6-16-7-4-11/h5,8-9,11,16H,2-4,6-7,10H2,1H3
InChIKeyYFSWVSOXKCNDEG-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.69
Rot. Bonds4

About ethyl 2-(2-oxo-3-piperidin-4-ylimidazo[4,5-c]pyridin-1-yl)acetate

ethyl 2-(2-oxo-3-piperidin-4-ylimidazo[4,5-c]pyridin-1-yl)acetate (PubChem CID 67335408) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl 2-(2-oxo-3-piperidin-4-ylimidazo[4,5-c]pyridin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-oxo-3-piperidin-4-ylimidazo[4,5-c]pyridin-1-yl)acetate
PubChem CID67335408
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Nameethyl 2-(2-oxo-3-piperidin-4-ylimidazo[4,5-c]pyridin-1-yl)acetate
SMILESCCOC(=O)Cn1c(=O)n(C2CCNCC2)c2cnccc21
InChIInChI=1S/C15H20N4O3/c1-2-22-14(20)10-18-12-5-8-17-9-13(12)19(15(18)21)11-3-6-16-7-4-11/h5,8-9,11,16H,2-4,6-7,10H2,1H3
InChIKeyYFSWVSOXKCNDEG-UHFFFAOYSA-N
XLogP0.69
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-oxo-3-piperidin-4-ylimidazo[4,5-c]pyridin-1-yl)acetate?
The IUPAC name of ethyl 2-(2-oxo-3-piperidin-4-ylimidazo[4,5-c]pyridin-1-yl)acetate (CID 67335408) is ethyl 2-(2-oxo-3-piperidin-4-ylimidazo[4,5-c]pyridin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2-oxo-3-piperidin-4-ylimidazo[4,5-c]pyridin-1-yl)acetate?
The canonical SMILES for ethyl 2-(2-oxo-3-piperidin-4-ylimidazo[4,5-c]pyridin-1-yl)acetate is CCOC(=O)Cn1c(=O)n(C2CCNCC2)c2cnccc21.
What is the InChIKey of ethyl 2-(2-oxo-3-piperidin-4-ylimidazo[4,5-c]pyridin-1-yl)acetate?
The InChIKey is YFSWVSOXKCNDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-2-22-14(20)10-18-12-5-8-17-9-13(12)19(15(18)21)11-3-6-16-7-4-11/h5,8-9,11,16H,2-4,6-7,10H2,1H3.
What are the key properties of ethyl 2-(2-oxo-3-piperidin-4-ylimidazo[4,5-c]pyridin-1-yl)acetate?
ethyl 2-(2-oxo-3-piperidin-4-ylimidazo[4,5-c]pyridin-1-yl)acetate has a molecular weight of 304.35 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-oxo-3-piperidin-4-ylimidazo[4,5-c]pyridin-1-yl)acetate is sourced from PubChem (CID 67335408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).